1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C19H20N2O2 — CID 110387638

IUPAC1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-7-5-6-10-16(14)20-19(23)17-11-12-18(22)21(17)13-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3,(H,20,23)
InChIKeyOHIXTYVDLAQFIB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.12
Rot. Bonds4

About 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387638) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110387638
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-7-5-6-10-16(14)20-19(23)17-11-12-18(22)21(17)13-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3,(H,20,23)
InChIKeyOHIXTYVDLAQFIB-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110426937
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110387638) is 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccccc1NC(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OHIXTYVDLAQFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-7-5-6-10-16(14)20-19(23)17-11-12-18(22)21(17)13-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3,(H,20,23).
What are the key properties of 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).